N-Boc-3-aminothiophene-2-carboxaldehyde - CAS 368442-47-1

Catalog:	BB023106
Product Name:	N-Boc-3-aminothiophene-2-carboxaldehyde
CAS:	368442-47-1
Synonyms:	tert-butyl N-(2-formylthiophen-3-yl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(2-formylthiophen-3-yl)carbamate
Description:	N-Boc-3-aminothiophene-2-carboxaldehyde (CAS# 368442-47-1) is a useful research chemical.
Molecular Weight:	227.28
Molecular Formula:	C10H13NO3S
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(SC=C1)C=O
InChI:	InChI=1S/C10H13NO3S/c1-10(2,3)14-9(13)11-7-4-5-15-8(7)6-12/h4-6H,1-3H3,(H,11,13)
InChI Key:	WFKLWNDDNOQFKO-UHFFFAOYSA-N
LogP:	2.98060

Publication Number	Title	Priority Date
EP-3686198-A1	mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE	20170918
WO-2008022467-A1	2-substituted azain doles and 2 substituted thienopyrroles, their precursors and novel processes for the preparation thereof	20060825
EP-1782811-A1	Novel antimalaria agent containing heterocyclic compound	20040809
JP-WO2006016548-A1	Novel antimalarial agents containing heterocyclic compounds	20040809
US-2009227799-A1	Novel Antimalarial Agent Containing Heterocyclic Compound	20040809

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Related Functional Groups

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.06161445
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.06161445
Rotatable Bond Count:	4
Topological Polar Surface Area:	83.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5